6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide

C24H19Cl2N3O2 — CID 156788043

IUPAC6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(Cl)c1
InChIInChI=1S/C24H19Cl2N3O2/c25-17-8-6-15(7-9-17)3-2-10-27-23(30)20-13-22-21(24(31)29-14-28-22)12-19(20)16-4-1-5-18(26)11-16/h1,4-9,11-14H,2-3,10H2,(H,27,30)(H,28,29,31)
InChIKeySNHPNSULUMPWEG-UHFFFAOYSA-N
MW452.34 g/mol
LogP5.26
Rot. Bonds6

About 6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide

6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide (PubChem CID 156788043) has the molecular formula C24H19Cl2N3O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide
PubChem CID156788043
Molecular FormulaC24H19Cl2N3O2
Molecular Weight452.34 g/mol
Exact Mass451.09
IUPAC Name6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(Cl)c1
InChIInChI=1S/C24H19Cl2N3O2/c25-17-8-6-15(7-9-17)3-2-10-27-23(30)20-13-22-21(24(31)29-14-28-22)12-19(20)16-4-1-5-18(26)11-16/h1,4-9,11-14H,2-3,10H2,(H,27,30)(H,28,29,31)
InChIKeySNHPNSULUMPWEG-UHFFFAOYSA-N
XLogP5.26
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide (CID 156788043) is 6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide is O=C(NCCCc1ccc(Cl)cc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide?
The InChIKey is SNHPNSULUMPWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2/c25-17-8-6-15(7-9-17)3-2-10-27-23(30)20-13-22-21(24(31)29-14-28-22)12-19(20)16-4-1-5-18(26)11-16/h1,4-9,11-14H,2-3,10H2,(H,27,30)(H,28,29,31).
What are the key properties of 6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide?
6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide has a molecular weight of 452.34 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-[3-(4-chlorophenyl)propyl]-4-oxo-3H-quinazoline-7-carboxamide is sourced from PubChem (CID 156788043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).